3-(4-Fluorophenyl)-3-phenylpropanoic acid

Base Information

• Chemical Name: 3-(4-Fluorophenyl)-3-phenylpropanoic acid
• CAS No.: 362-86-7
• Molecular Formula: C15H13 F O2
• Molecular Weight: 244.265
• Hs Code.: 2916399090
• European Community (EC) Number: 206-652-4
• DSSTox Substance ID: DTXSID00957601
• Nikkaji Number: J193.864I
• Mol file: 362-86-7.mol

Synonyms:3-(4-fluorophenyl)-3-phenylpropanoic acid;362-86-7;EINECS 206-652-4;3-(p-Fluorophenyl)-3-phenylpropionic acid;SCHEMBL6703313;DTXSID00957601;MFCD01897573;STK552447;AKOS003603956;AKOS022184482;4-Fluoro-beta-phenylbenzenepropionic acid;3-(4-fluorophenyl)-3-phenylpropanoicacid;BS-37797;CS-0332591

Chemical Property of 3-(4-Fluorophenyl)-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 8.35E-06mmHg at 25°C
• Boiling Point: 359.8°Cat760mmHg
• Flash Point: 171.4°C
• PSA: 37.30000
• Density: 1.212g/cm³
• LogP: 3.43230
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 244.08995782
• Heavy Atom Count: 18
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-fluorophenyl)-3-phenylpropanoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)O)C2=CC=C(C=C2)F

Technology Process of 3-(4-Fluorophenyl)-3-phenylpropanoic acid

There total 17 articles about 3-(4-Fluorophenyl)-3-phenylpropanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

(E/Z)-3-(4-fluorophenyl)-3-phenylpropenoic acid (390-42-1) → 3-(4-fluorophenyl)-3-phenylpropanoic acid (362-86-7)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 24h; under 3750.38 Torr;

DOI:10.1021/jm800841w

Reference yield: 96.0%

(E)-3-phenylacrylic acid (140-10-3) + 4-fluoroboronic acid (1765-93-1) → 3-(4-fluorophenyl)-3-phenylpropanoic acid (362-86-7)

Guidance literature:

With dichloro(2,2'-bipyridine)palladium(II); silver nitrate; In water; at 60 ℃; for 12h; Green chemistry;

DOI:10.1016/j.tetlet.2018.02.013

Reference yield: 96.0%

4-fluorocinnamic acid (459-32-5,14290-66-5,14290-86-9) + phenylboronic acid (98-80-6) → 3-(4-fluorophenyl)-3-phenylpropanoic acid (362-86-7)

Guidance literature:

With [2,2]bipyridinyl; palladium diacetate; acetic acid; In tetrahydrofuran; water; at 80 ℃; for 24h; Schlenk technique;

DOI:10.1021/acs.joc.7b01248

upstream raw materials:

fluorobenzene

(E)-3-phenylacrylic acid

(E/Z)-3-(4-fluorophenyl)-3-phenylpropenoic acid

1-(chlorophenylmethyl)-4-fluorobenzene

Downstream raw materials:

Lu 17-123

1-chloro-4-(4-flurophenyl)indan

cis-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol

2-(2-{2-[3-(4-fluoro-phenyl)-3-phenyl-propyl]-1H-imidazol-4-yl}-ethyl)-isoindole-1,3-dione

Refernces

• 1、 Huang, Yan,Hou, Jing,Zhan, Le-Wu,Zhang, Qian,Tang, Wan-Ying,Li, Bin-Dong. "Photoredox Activation of Formate Salts: Hydrocarboxylation of Alkenes via Carboxyl Group Transfer". . p. 15004 - 15012. Retrieved 2021/12/14.
• 2、 Ni, Yuxin,Song, Kaixuan,Shen, Kai,Yang, Zhenyu,Liu, Rui,Lin, Shaohui,Pan, Qinmin. "Cationic Pd(II)/bipyridine-catalyzed conjugate addition of arylboronic acids to α,β-unsaturated carboxylic acids in aqueous media". supporting information. p. 1192 - 1195. Retrieved 2018/03/01.